Geometry & MOs

Info

ID:	174479
PubChem CID:	75768748
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-84.82
Dipole, Da:	6.18
IP(EA), eV:	-8.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6-trimethyl-2-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3(C(=O)N(C4=C(O3)C=CC(=C4)C)C)C

DOS

IR

Vibrations